2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile

C10H7FN2O — CID 170571792

IUPAC2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile
SMILESCc1ccc(F)c2c(C#N)c(N)oc12
InChIInChI=1S/C10H7FN2O/c1-5-2-3-7(11)8-6(4-12)10(13)14-9(5)8/h2-3H,13H2,1H3
InChIKeySOWGFTJNNAACFV-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.33
Rot. Bonds

About 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile

2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile (PubChem CID 170571792) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile
PubChem CID170571792
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile
SMILESCc1ccc(F)c2c(C#N)c(N)oc12
InChIInChI=1S/C10H7FN2O/c1-5-2-3-7(11)8-6(4-12)10(13)14-9(5)8/h2-3H,13H2,1H3
InChIKeySOWGFTJNNAACFV-UHFFFAOYSA-N
XLogP2.33
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile?
The IUPAC name of 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile (CID 170571792) is 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile?
The canonical SMILES for 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile is Cc1ccc(F)c2c(C#N)c(N)oc12.
What is the InChIKey of 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile?
The InChIKey is SOWGFTJNNAACFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c1-5-2-3-7(11)8-6(4-12)10(13)14-9(5)8/h2-3H,13H2,1H3.
What are the key properties of 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile?
2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile has a molecular weight of 190.18 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-7-methyl-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 170571792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).